3-Amino-N-(4-fluoro-2-methylphenyl)propanamide
Basic information
- CAS
953891-00-4- Standard SMILES
Cc1cc(F)ccc1NC(=O)CCN- InChIKey
JPBUXUZPRQZQEP-UHFFFAOYSA-N- Molecular formula
- C10H13FN2O
- Average molar mass
- 196.22 g/mol
Names & identifiers
- Preferred name
- 3-Amino-N-(4-fluoro-2-methylphenyl)propanamide
- IUPAC
- 3-amino-N-(4-fluoro-2-methylphenyl)propanamide
- English name
- N~1~-(4-fluoro-2-methylphenyl)-beta-alaninamide(SALTDATA: 0.92HCl 0.07H2O 0.09C4H9OH)
- Molecular formula
- C10H13FN2O
- Molecular weight
- 196.22
Names & synonyms
3-Amino-N-(4-fluoro-2-methylphenyl)propanamide953891-00-4N~1~-(4-fluoro-2-methylphenyl)-beta-alaninamideSTK497995AKOS000143129N-(4-fluoro-2-methylphenyl)-beta-alaninamidePropanamide, 3-amino-N-(4-fluoro-2-methylphenyl)-N~1~-(4-fluoro-2-methylphenyl)-beta-alaninamide(SALTDATA: 0.92HCl 0.07H2O 0.09C4H9OH)
Database identifiers
- CAS
953891-00-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 354 · 354.0±37.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 13.57 · 13.57±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…